Mol:FL5FFCNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9672 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9672 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0450 -1.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0450 -1.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4721 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4721 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9672 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9672 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4721 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4721 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3115 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3115 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7528 3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7528 3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0495 2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0495 2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5950 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5950 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 33 2.1618 1.575 | + | M SVB 3 33 2.1618 1.575 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 -1.4859 1.1663 | + | M SVB 2 31 -1.4859 1.1663 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 1.3115 2.1513 | + | M SVB 1 29 1.3115 2.1513 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0001 | + | ID FL5FFCNI0001 |
| − | KNApSAcK_ID C00004942 | + | KNApSAcK_ID C00004942 |
| − | NAME Flaccidine | + | NAME Flaccidine |
| − | CAS_RN 137832-26-9 | + | CAS_RN 137832-26-9 |
| − | FORMULA C23H22O9 | + | FORMULA C23H22O9 |
| − | EXACTMASS 442.126382302 | + | EXACTMASS 442.126382302 |
| − | AVERAGEMASS 442.41538 | + | AVERAGEMASS 442.41538 |
| − | SMILES O(c(c3)c(OC)cc(c3)C(O2)=C(C(=O)c(c21)c(O)cc(c1OC)O)OC(C(C)=CC)=O)C | + | SMILES O(c(c3)c(OC)cc(c3)C(O2)=C(C(=O)c(c21)c(O)cc(c1OC)O)OC(C(C)=CC)=O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9672 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0450 -1.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4721 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9672 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4721 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7528 3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0495 2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 33
M SMT 3 OCH3
M SVB 3 33 2.1618 1.575
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 -1.4859 1.1663
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.3115 2.1513
S SKP 8
ID FL5FFCNI0001
KNApSAcK_ID C00004942
NAME Flaccidine
CAS_RN 137832-26-9
FORMULA C23H22O9
EXACTMASS 442.126382302
AVERAGEMASS 442.41538
SMILES O(c(c3)c(OC)cc(c3)C(O2)=C(C(=O)c(c21)c(O)cc(c1OC)O)OC(C(C)=CC)=O)C
M END
